2-[methyl-(4-methylphenyl)sulfonyl-amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)ethanamide

Systemtic Name: 2-[methyl-(4-methylphenyl)sulfonyl-amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)ethanamide Openeye Name: 2-[methyl(p-tolylsulfonyl)amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-[methyl(tosyl)amino]acetamide Formula: C18H19N3O3S3 MolecularWeight: 421.55676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SC

InChI

InChI=1S/C18H19N3O3S3/c1-12-4-7-14(8-5-12)27(23,24)21(2)11-17(22)19-13-6-9-15-16(10-13)26-18(20-15)25-3/h4-10H,11H2,1-3H3,(H,19,22)